2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol

C36H34O4 — CID 73334664

IUPAC2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol
SMILESC=CCc1ccc(Oc2cc(CC=C)cc(-c3ccc(O)c(CC=C)c3)c2O)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C36H34O4/c1-5-9-24-13-18-34(30(19-24)26-14-16-32(37)28(22-26)11-7-3)40-35-21-25(10-6-2)20-31(36(35)39)27-15-17-33(38)29(23-27)12-8-4/h5-8,13-23,37-39H,1-4,9-12H2
InChIKeyHHIHLTZXYWXIPN-UHFFFAOYSA-N
MW530.66 g/mol
LogP8.84
Rot. Bonds12

About 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol

2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol (PubChem CID 73334664) has the molecular formula C36H34O4 and a molecular weight of 530.66 g/mol. Its IUPAC name is 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol
PubChem CID73334664
Molecular FormulaC36H34O4
Molecular Weight530.66 g/mol
Exact Mass530.25
IUPAC Name2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol
SMILESC=CCc1ccc(Oc2cc(CC=C)cc(-c3ccc(O)c(CC=C)c3)c2O)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C36H34O4/c1-5-9-24-13-18-34(30(19-24)26-14-16-32(37)28(22-26)11-7-3)40-35-21-25(10-6-2)20-31(36(35)39)27-15-17-33(38)29(23-27)12-8-4/h5-8,13-23,37-39H,1-4,9-12H2
InChIKeyHHIHLTZXYWXIPN-UHFFFAOYSA-N
XLogP8.84
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.66
LogP ≤ 58.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol?
The IUPAC name of 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol (CID 73334664) is 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol.
What is the SMILES notation for 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol?
The canonical SMILES for 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol is C=CCc1ccc(Oc2cc(CC=C)cc(-c3ccc(O)c(CC=C)c3)c2O)c(-c2ccc(O)c(CC=C)c2)c1.
What is the InChIKey of 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol?
The InChIKey is HHIHLTZXYWXIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O4/c1-5-9-24-13-18-34(30(19-24)26-14-16-32(37)28(22-26)11-7-3)40-35-21-25(10-6-2)20-31(36(35)39)27-15-17-33(38)29(23-27)12-8-4/h5-8,13-23,37-39H,1-4,9-12H2.
What are the key properties of 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol?
2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol has a molecular weight of 530.66 g/mol, XLogP of 8.84, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol is sourced from PubChem (CID 73334664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).